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The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

preprint
revised on 07.10.2020 and posted on 08.10.2020 by Panayiota Antoniou, Figen Suchanek, James F. Varner, Jonathan Foley

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate dissipation rates, and that cavity-free isomerization dynamics are recovered under large dissipation rates. These findings highlight the important role that the finite

lifetime of photonic degrees of freedom play in polaritonic chemistry.

Funding

American Chemical Society Petroleum Research Fund

Research Corporation Cottrell Scholar Award

History

Email Address of Submitting Author

foleyj10@wpunj.edu

Institution

William Paterson University

Country

United States

ORCID For Submitting Author

0000-0001-8814-4444

Declaration of Conflict of Interest

No conflict of interest.

Version Notes

Fourth Version

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